3,3-Dimethyl-1-Butanol

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Properties Simple | Detailed

Formula C6H14O
IUPAC Name 3,3-dimethylbutan-1-ol
Molecular Mass 102.175 g·mol−1
Heat of Formation -331.0 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 156.65 Å 3
Surface Area 156.08 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanol, 3,3-dimethyl-
  • tert-hexanol (9ci)
  • tert-hexyl alcohol
CAS Number(s)
  • 624-95-3
  • 26401-20-7
InChIKey DUXCSEISVMREAX-UHFFFAOYSA-N
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Elements H C O